FDZVa_FAF Molecular Principles of Drug Design

Farmaceutická fakulta
podzim 2025
Rozsah
2/0/0. 5 kr. Ukončení: zk.
Vyučováno kontaktně
Vyučující
doc. PharmDr. Oldřich Farsa, Ph.D. (přednášející)
Garance
doc. PharmDr. Oldřich Farsa, Ph.D.
Farmaceutická fakulta
Dodavatelské pracoviště: Ústav chemických léčiv – Ústavy – Farmaceutická fakulta
Omezení zápisu do předmětu
Předmět je určen pouze studentům mateřských oborů.
Mateřské obory/plány
Cíle předmětu
A specific drug molecule is in the spotlight of this discipline. The advanced course proceeds the general Medicinal Chemistry and develops it towards research and development of medicines on molecular level. The discipline sums up different approaches and protocols either typical only for Medicinal Chemistry (priviledged structures´ concept, drug likeness, pharmacogenomics, fragment method, molecular docking etc.) or adapted from other more general disciplines (QSAR including physico-chemical descriptors used there, combinatorial chemistry). The discipline touches also methods of the acitity assessment of biologicaly active compounds in vitro, some pharmacokinetic systems (efflux pumps) and specifity of development of veterinary drugs. The development in some model therapeutic groups is here described in more detail (strong analgesics as an example of small moleculs, haematopoietic factors as an example of biologic therapeutics).
Výstupy z učení
Knowledge of the scope of drug reserch and development from the poin of view "through the molecule structure" in an previously agreed extent.
Osnova

Topics
1. Introduction into the discipline, its concept and organisation. Combinatorial chemistry as a tool of drug design.
2. Physico-chemical properties of compounds and their importance for the activity in the organism.
3. Quantitative structure-activity relationships
4. Optimisation of physico-chemical properties based on analogy.
5. Design of strong analgesics.
6. Development of biologic therapeutics.
7. Theory of priviledged structures. Chemogenomics.
8. Fragment method in drug design.
9. Design of drugs with respect to their metabolism I. Toxic metabolites.
10. Design of drugs with respect to their metabolism II. Prodrugs and their design. (
11. Development of specific veterinary medicines.
12. Membrane transporters and their importance for drug design.
13. Efflux pumps and their importance in drug design and development. (
14. Interaction of a target structure and a drug on molecular level.
Literatura
    doporučená literatura
  • Avdeef, A. Absorption and Drug Development. info
  • Fischer, J., Ganellin, C.R. Analogue-based Drug Discovery. ISBN 978-3-572-31257-3. info
  • You, G.F., Morris, M.E. Drug Transporters. ISBN 978-0-471-78491-3. info
  • Pliška, V., Testa, B., van de Waterbeemd, H. Lipophilicity in Drug Action and Toxicology. ISBN 3-527-29383-3. info
  • Hilficker, R. Polymorphism. ISBN 978-3-527-31146-0. info
  • Kerns, E.H., Di, L. Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization. 2008. ISBN 978-0-1236-9520-8. info
  • Kubinyi, H. QSAR: Hansch Analysis and Related Approaches. 2008. ISBN 9783527616824. URL info
  • Wermuth, C.G. The Practice of Medicinal Chemistry, 3rd. Edition. 2008. ISBN 978-0-12-374194-3. info
  • Kubinyi H., Müller G. Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective. 2004. ISBN 9783527603947. info
    neurčeno
  • Analogue-based drug discovery III. Edited by János Fischer - C. R. Ganellin - David P. Rotella. Weinheim, Germany: Wiley-VCH, 2013, xviii, 385. ISBN 9783527651115. info
  • Analogue-based drug discovery II. Edited by János Fischer - C. R. Ganellin. Weinheim: Wiley-VCH, 2010, 1 online. ISBN 9783527632121. URL info
Výukové metody
Consultations, self-study of recommened suitable resources.
Metody hodnocení
Oral or written exam. Colloquium possible in a case of participation of more students.
Vyučovací jazyk
Angličtina
Předmět je zařazen také v obdobích jaro 2025, jaro 2026.